(2,3,4-trifluorocyclopent-2-en-1-yl)methanol

C6H7F3O — CID 121336125

IUPAC(2,3,4-trifluorocyclopent-2-en-1-yl)methanol
SMILESOCC1CC(F)C(F)=C1F
InChIInChI=1S/C6H7F3O/c7-4-1-3(2-10)5(8)6(4)9/h3-4,10H,1-2H2
InChIKeyPGEVVQRUFVOACN-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.49
Rot. Bonds1

About (2,3,4-trifluorocyclopent-2-en-1-yl)methanol

(2,3,4-trifluorocyclopent-2-en-1-yl)methanol (PubChem CID 121336125) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is (2,3,4-trifluorocyclopent-2-en-1-yl)methanol.

Molecular Properties

Compound Name(2,3,4-trifluorocyclopent-2-en-1-yl)methanol
PubChem CID121336125
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name(2,3,4-trifluorocyclopent-2-en-1-yl)methanol
SMILESOCC1CC(F)C(F)=C1F
InChIInChI=1S/C6H7F3O/c7-4-1-3(2-10)5(8)6(4)9/h3-4,10H,1-2H2
InChIKeyPGEVVQRUFVOACN-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorocyclopent-2-en-1-yl)methanol?
The IUPAC name of (2,3,4-trifluorocyclopent-2-en-1-yl)methanol (CID 121336125) is (2,3,4-trifluorocyclopent-2-en-1-yl)methanol.
What is the SMILES notation for (2,3,4-trifluorocyclopent-2-en-1-yl)methanol?
The canonical SMILES for (2,3,4-trifluorocyclopent-2-en-1-yl)methanol is OCC1CC(F)C(F)=C1F.
What is the InChIKey of (2,3,4-trifluorocyclopent-2-en-1-yl)methanol?
The InChIKey is PGEVVQRUFVOACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c7-4-1-3(2-10)5(8)6(4)9/h3-4,10H,1-2H2.
What are the key properties of (2,3,4-trifluorocyclopent-2-en-1-yl)methanol?
(2,3,4-trifluorocyclopent-2-en-1-yl)methanol has a molecular weight of 152.11 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorocyclopent-2-en-1-yl)methanol is sourced from PubChem (CID 121336125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).